Spektraris NMR
(1R,8abeta)-1,4aalpha-Dimethyl-4alpha-(beta-D-glucopyranosyloxy)-7beta-(1-hydroxy-1-methylethyl)decahydronaphthalene-1beta,2alpha-diol
Common Name: (1R,8abeta)-1,4aalpha-Dimethyl-4alpha-(beta-D-glucopyranosyloxy)-7beta-(1-hydroxy-1-methylethyl)decahydronaphthalene-1beta,2alpha-diol
Synonyms: (1R,8abeta)-1,4aalpha-Dimethyl-4alpha-(beta-D-glucopyranosyloxy)-7beta-(1-hydroxy-1-methylethyl)decahydronaphthalene-1beta,2alpha-diol
CAS Registry Number:
InChI: InChI=1S/C21H38O9/c1-19(2,27)10-5-6-20(3)12(7-10)21(4,28)13(23)8-14(20)30-18-17(26)16(25)15(24)11(9-22)29-18/h10-18,22-28H,5-9H2,1-4H3/t10-,11-,12+,13-,14+,15-,16+,17-,18+,20+,21-/m1/s1
InChIKey: InChIKey=MMZDNZVHSDTPNB-KMWDOKHFSA-N
Formula: C21H38O9
Molecular Weight: 434.521847
Exact Mass: 434.251583
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Picerno, P., Mencherini, T., Rastrelli, L., Piccinelli, A., Aquino, R. J Nat Prod (2008) 71, 265-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 84.1 |
| 2 (CH2) | 33.7 |
| 3 (CH) | 77.7 |
| 4 (C) | 76.6 |
| 5 (CH) | 51.5 |
| 6 (CH2) | 23.2 |
| 7 (CH) | 50.6 |
| 8 (CH2) | 22 |
| 9 (CH2) | 41.6 |
| 10 (C) | 39.7 |
| 11 (C) | 73 |
| 12 (CH3) | 27.3 |
| 13 (CH3) | 27 |
| 14 (CH3) | 14.6 |
| 15 (CH3) | 16.4 |
| 1' (CH) | 101.8 |
| 2' (CH) | 74.9 |
| 3' (CH) | 77.8 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78 |
| 6' (CH2) | 62.9 |
